Publicações

Nuno Fonseca, Rui Camacho ; Nuno Fonseca, Alexandre L. Magalhães

A study on the amino acid pairing at the N- and C- termini of the helical segments in proteins

Proteins: Structure, Function and Bioinformatics,
2007

Akapong Suwattanamala, Alexandre L. Magalhães, Jose A. N. F. Gomes

Theoretical Study on the Structure and Conformational Features of Distally Dibromo-dipropoxythiacalix[4]arene Derivatives and their Zn2+ Complexes

Theoretical Chemistry Accounts, Vol.117,
Pages 431-440, 2007

Akapong Suwattanamala, D. Appelhans ; M. Wenzel ; K. Gloe, Alexandre L. Magalhães, Jose A. N. F. Gomes

Comparative study on the transition metal complexes of a novel thiacalix[4]arene derivative

Chemical Physics, Vol.320,
Pages 193-206, 2006

Alexandre L. Magalhães, European Journal of Physics

Particle in a Box: software for computer-assisted learning in introductory quantum mechanics courses

European Journal of Physics, Vol.27,
Nr.6, Pages 1425 - 1435, 2006

Akapong Suwattanamala, Alexandre L. Magalhães, Jose A. N. F. Gomes

Comparative Density Functional Theory Study on Thiacalix[4]arene Binding Modes for Zn2+ and Cu2+

Journal Physical Chemistry-A, Vol.109,
Pages 10742-10752, 2005

Akapong Suwattanamala, Alexandre L. Magalhães, Jose A. N. F. Gomes

Comparative study of novel sulfonycalix[4]arene derivative compounds

J. Molecular Structure-THEOCHEM, Vol.729,
Pages 83-90, 2005

Akapong Suwattanamala, Alexandre L. Magalhães, Jose A. N. F. Gomes

Computational study of calix[4]arene derivatives and complexation with Zn+2

Chemical Physics, Vol.310,
Pages 109-122, 2005

José E. R. Borges, Xerardo García-Mera ; Franco Fernández ; V. Hugo C. Lopes, Alexandre L. Magalhães, Maria N. D. S. Cordeiro

Experimental and DFT study of the Aza-Diels Alder reaction between

Tetrahedron, Vol.61,
Pages 10951-10957, 2005

Maria J. Ramos, Alexandre L. Magalhães, André Melo, Pedro Alexandrino Fernandes

Foreward

Journal of Molecular Structure (Theochem), Vol.729,
Pages vii, 2005

Rui Camacho ; Nuno Fonseca, Alexandre L. Magalhães

Applying Inductive Logic Programming in a Study of Protein -helices Structures

BKDB2005-Bioinformatics: Knowledge Discovery in Biology
Pages 63-67, 2005

Maria N. D. S. Cordeiro, Alexandre L. Magalhães

Introdução à Estatística: Uma perspectiva química

LIDEL- Edições Técnicas Lda, Lisboa,
2004

Akapong Suwattanamala, Alexandre L. Magalhães, Jose A. N. F. Gomes

Structure and conformational equilibrium of new thiacalix[4]arene derivatives

Chemical Physics Letters, Vol.385,
Pages 368-373, 2004

Alexandre L. Magalhães, A.S. Soares Pinto

Vibrational analysis of small species in liquid phase by a combined DFT and polarizable continuum methodology

Theoretical Chemistry Accounts, Vol.110,
Nr.2, Pages 70-78, 2003

Alexandre L. Magalhães

As limitações da linguagem no ensino da Mecânica Quântica

Boletim da Sociedade Portuguesa de Química,
Nr.86, Pages 70-72, 2002

Alexandre L. Magalhães, B. Maigret, Jose A. N. F. Gomes, Maria João Ramos

Hybrid QM/MM study of a fundamental biological interaction surrounded by its protein environment

The Internet Journal of Chemistry,
Nr.3, Pages 11, 2000

Alexandre L. Magalhães, S.R.R.S. Madaíl, Maria João Ramos

Prediction of the Raman spectrum of aqueous formate anion by a combined DFT and SCRF study

Theoretical Chemistry Accounts, Vol.105,
Nr.1, Pages 68-76, 2000

André Melo, Maria João Ramos, Welly B. Floriano, Jose A. N. F. Gomes, José F. R. Leão, Alexandre L. Magalhães, Bernard Maigret, Marco A. C. Nascimento, Nathalie Reuter

Theoretical study of arginine-carboxylate interactions

Journal of Molecular Structure (Theochem), Vol.463,
Pages 81-90, 1999

Alexandre L. Magalhães, Jose A. N. F. Gomes

Density-Functional methods for the study of the ground state vibrational frequencies of the guanidinium ion

Int. J. Quantum Chemistry, Vol.61,
Pages 725, 1997

Alexandre L. Magalhães, Bernard Maigret, Jose A. N. F. Gomes

Study of the hydration of like-charged ion pairs

ECCC1 Computational Chemistry FECS Conference
Nr.330, Pages 419, 1995

Alexandre L. Magalhães, Maigret,B. ; Hoflack,J. ; Gomes,J.A.N.F. ; Scheraga,H.A;

Contributions of unusual Arginine-Arginine short-range interactions to stabilization and recognition in proteins

J. Protein Chem., Vol.13,
Nr.2, Pages 195, 1994

Alexandre L. Magalhães, Maria João Ramos

Calculation of hyperfine coupling constants of muonated radicals

Chemical Physics Letters, Vol.165,
Pages 6, 1990

Alexandre L. Magalhães, Jose A. N. F. Gomes

Partícula na Caixa

Boletim da Sociedade Portuguesa de Química,
Nr.41, Pages 23, 1990